2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H30N4O3 — CID 97143946

IUPAC2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1CCc2[nH]nc(C(=O)N3CCC4(CCC(=O)N(CCO)C4)CC3)c2C1
InChIInChI=1S/C20H30N4O3/c1-14-2-3-16-15(12-14)18(22-21-16)19(27)23-8-6-20(7-9-23)5-4-17(26)24(13-20)10-11-25/h14,25H,2-13H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyFIUZFEIWIXUTFC-CQSZACIVSA-N
MW374.49 g/mol
LogP1.37
Rot. Bonds3

About 2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97143946) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97143946
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1CCc2[nH]nc(C(=O)N3CCC4(CCC(=O)N(CCO)C4)CC3)c2C1
InChIInChI=1S/C20H30N4O3/c1-14-2-3-16-15(12-14)18(22-21-16)19(27)23-8-6-20(7-9-23)5-4-17(26)24(13-20)10-11-25/h14,25H,2-13H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyFIUZFEIWIXUTFC-CQSZACIVSA-N
XLogP1.37
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylbut-2-enyl)-8-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97199707
[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone
CID 95990066
2-(2-hydroxyethyl)-9-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72884759
2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72936387
9-(3,5-dimethoxybenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72837618
2-(3-methylbutyl)-8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70712494
2-(2-hydroxyethyl)-9-(3-hydroxy-4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72871813
[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 166280188
2-(dimethylamino)-7-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136883847
9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72894988
2-(2-hydroxyethyl)-9-(2-pyrazol-1-ylbutanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72846712
2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97119810

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97143946) is 2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one is C[C@@H]1CCc2[nH]nc(C(=O)N3CCC4(CCC(=O)N(CCO)C4)CC3)c2C1.
What is the InChIKey of 2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FIUZFEIWIXUTFC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-14-2-3-16-15(12-14)18(22-21-16)19(27)23-8-6-20(7-9-23)5-4-17(26)24(13-20)10-11-25/h14,25H,2-13H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 374.49 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97143946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).